3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(oxolan-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(oxolan-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[[oxo(2-oxolanyl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(oxolane-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H31N5O7 MolecularWeight: 525.55364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CCCO4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CCCO4

InChI

InChI=1S/C26H31N5O7/c1-37-26(36)31-11-9-30(10-12-31)21-7-6-17(14-20(21)29-25(35)22-5-3-13-38-22)24(34)28-19(15-23(32)33)18-4-2-8-27-16-18/h2,4,6-8,14,16,19,22H,3,5,9-13,15H2,1H3,(H,28,34)(H,29,35)(H,32,33)